CID 40424027

4-(aminomethyl)cyclohexanone, n-boc protected

Structural Information

Molecular Formula
C12H21NO3
SMILES
CC(C)(C)OC(=O)NCC1CCC(=O)CC1
InChI
InChI=1S/C12H21NO3/c1-12(2,3)16-11(15)13-8-9-4-6-10(14)7-5-9/h9H,4-8H2,1-3H3,(H,13,15)
InChIKey
KYOXDOGUXCYNAW-UHFFFAOYSA-N
Compound name
tert-butyl N-[(4-oxocyclohexyl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

406
Patents

227.15215 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15943 153.3
[M+Na]+ 250.14137 157.3
[M-H]- 226.14487 156.0
[M+NH4]+ 245.18597 171.2
[M+K]+ 266.11531 156.6
[M+H-H2O]+ 210.14941 147.6
[M+HCOO]- 272.15035 172.1
[M+CH3COO]- 286.16600 191.1
[M+Na-2H]- 248.12682 156.3
[M]+ 227.15160 151.3
[M]- 227.15270 151.3
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

patents stripe