CID 137935978

2253641-01-7

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](C1)C=O
InChI
InChI=1S/C13H23NO3/c1-13(2,3)17-12(16)14-8-10-5-4-6-11(7-10)9-15/h9-11H,4-8H2,1-3H3,(H,14,16)/t10-,11+/m1/s1
InChIKey
GTAFLYOFDSVADI-MNOVXSKESA-N
Compound name
tert-butyl N-[[(1R,3S)-3-formylcyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.1678 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 157.9
[M+Na]+ 264.15702 161.4
[M-H]- 240.16052 160.4
[M+NH4]+ 259.20162 175.2
[M+K]+ 280.13096 160.5
[M+H-H2O]+ 224.16506 152.0
[M+HCOO]- 286.16600 176.3
[M+CH3COO]- 300.18165 194.1
[M+Na-2H]- 262.14247 160.3
[M]+ 241.16725 156.2
[M]- 241.16835 156.2
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.