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]+ 268.190716 166.8
[M+Na]+ 290.172658 171.4
[M-H]- 266.176164 170.4
[M+NH4]+ 285.217263 189.5
[M+K]+ 306.146598 169.6
[M+H-H2O]+ 250.180700 162.8
[M+HCOO]- 312.181641 185.7
[M+CH3COO]- 326.197291 197.3
[M+Na-2H]- 288.158106 168.5
[M]+ 267.18289142 166.3
[M]- 267.18398858 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.