CID 10062714

1-(phenylmethyl)cyclopentyl[(1s)-1-formylpentyl]carbamate

Structural Information

Molecular Formula
C19H27NO3
SMILES
CCCC[C@@H](C=O)NC(=O)OC1(CCCC1)CC2=CC=CC=C2
InChI
InChI=1S/C19H27NO3/c1-2-3-11-17(15-21)20-18(22)23-19(12-7-8-13-19)14-16-9-5-4-6-10-16/h4-6,9-10,15,17H,2-3,7-8,11-14H2,1H3,(H,20,22)/t17-/m0/s1
InChIKey
ONABDOMWRCXLPX-KRWDZBQOSA-N
Compound name
(1-benzylcyclopentyl) N-[(2S)-1-oxohexan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.1991 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.20638 180.0
[M+Na]+ 340.18832 182.2
[M-H]- 316.19182 185.1
[M+NH4]+ 335.23292 197.0
[M+K]+ 356.16226 179.4
[M+H-H2O]+ 300.19636 172.5
[M+HCOO]- 362.19730 200.6
[M+CH3COO]- 376.21295 206.8
[M+Na-2H]- 338.17377 180.1
[M]+ 317.19855 179.7
[M]- 317.19965 179.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.