CID 8913

143-06-6

Structural Information

Molecular Formula
C7H16N2O2
SMILES
C(CCCNC(=O)O)CCN
InChI
InChI=1S/C7H16N2O2/c8-5-3-1-2-4-6-9-7(10)11/h9H,1-6,8H2,(H,10,11)
InChIKey
HDIHOAXFFROQHR-UHFFFAOYSA-N
Compound name
6-aminohexylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

631
Patents

160.12119 Da
Monoisotopic Mass

-2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.12847 137.1
[M+Na]+ 183.11041 141.8
[M-H]- 159.11391 135.2
[M+NH4]+ 178.15501 156.3
[M+K]+ 199.08435 140.7
[M+H-H2O]+ 143.11845 131.5
[M+HCOO]- 205.11939 160.1
[M+CH3COO]- 219.13504 180.0
[M+Na-2H]- 181.09586 141.1
[M]+ 160.12064 135.6
[M]- 160.12174 135.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe