CID 84938

Bis(4-aminocyclohexyl)methyl carbamate

Structural Information

Molecular Formula
C14H27N3O2
SMILES
C1CC(CCC1C(C2CCC(CC2)N)OC(=O)N)N
InChI
InChI=1S/C14H27N3O2/c15-11-5-1-9(2-6-11)13(19-14(17)18)10-3-7-12(16)8-4-10/h9-13H,1-8,15-16H2,(H2,17,18)
InChIKey
WTRTWNXSQAXYMT-UHFFFAOYSA-N
Compound name
bis(4-aminocyclohexyl)methyl carbamate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

269.21033 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.217606 165.4
[M+Na]+ 292.199548 164.9
[M-H]- 268.203054 168.4
[M+NH4]+ 287.244153 179.3
[M+K]+ 308.173488 163.0
[M+H-H2O]+ 252.207590 157.6
[M+HCOO]- 314.208531 180.8
[M+CH3COO]- 328.224181 204.8
[M+Na-2H]- 290.184996 161.8
[M]+ 269.20978142 152.4
[M]- 269.21087858 152.4
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