CID 146049379

2411201-74-4

Structural Information

Molecular Formula
C15H25NO3
SMILES
CC(C)(C)OC(=O)NCC1(CC2CCCC2C1)C=O
InChI
InChI=1S/C15H25NO3/c1-14(2,3)19-13(18)16-9-15(10-17)7-11-5-4-6-12(11)8-15/h10-12H,4-9H2,1-3H3,(H,16,18)
InChIKey
KLYCVKWBLLJRCH-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-formyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.18344 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.19072 166.8
[M+Na]+ 290.17266 171.4
[M-H]- 266.17616 170.4
[M+NH4]+ 285.21726 189.5
[M+K]+ 306.14660 169.6
[M+H-H2O]+ 250.18070 162.8
[M+HCOO]- 312.18164 185.7
[M+CH3COO]- 326.19729 197.3
[M+Na-2H]- 288.15811 168.5
[M]+ 267.18289 166.3
[M]- 267.18399 166.3
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.