CID 5076809

Hexamethylenedicarbamic acid

Structural Information

Molecular Formula
C8H16N2O4
SMILES
C(CCCNC(=O)O)CCNC(=O)O
InChI
InChI=1S/C8H16N2O4/c11-7(12)9-5-3-1-2-4-6-10-8(13)14/h9-10H,1-6H2,(H,11,12)(H,13,14)
InChIKey
APKFLZGRWMXNNV-UHFFFAOYSA-N
Compound name
6-(carboxyamino)hexylcarbamic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

808
Patents

204.11101 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.118286 146.1
[M+Na]+ 227.100228 149.9
[M-H]- 203.103734 143.1
[M+NH4]+ 222.144833 162.8
[M+K]+ 243.074168 149.0
[M+H-H2O]+ 187.108270 140.1
[M+HCOO]- 249.109211 167.6
[M+CH3COO]- 263.124861 184.8
[M+Na-2H]- 225.085676 149.0
[M]+ 204.11046142 145.5
[M]- 204.11155858 145.5
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