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
1
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]+ 270.21761 165.4
[M+Na]+ 292.19955 164.9
[M-H]- 268.20305 168.4
[M+NH4]+ 287.24415 179.3
[M+K]+ 308.17349 163.0
[M+H-H2O]+ 252.20759 157.6
[M+HCOO]- 314.20853 180.8
[M+CH3COO]- 328.22418 204.8
[M+Na-2H]- 290.18500 161.8
[M]+ 269.20978 152.4
[M]- 269.21088 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