CID 23424299

2-(carbamoylamino)hexanoic acid

Structural Information

Molecular Formula
C7H14N2O3
SMILES
CCCCC(C(=O)O)NC(=O)N
InChI
InChI=1S/C7H14N2O3/c1-2-3-4-5(6(10)11)9-7(8)12/h5H,2-4H2,1H3,(H,10,11)(H3,8,9,12)
InChIKey
CRTBNFJSWPZSQM-UHFFFAOYSA-N
Compound name
2-(carbamoylamino)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

174.10045 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.107726 139.9
[M+Na]+ 197.089668 144.4
[M-H]- 173.093174 138.1
[M+NH4]+ 192.134273 158.2
[M+K]+ 213.063608 144.2
[M+H-H2O]+ 157.097710 134.2
[M+HCOO]- 219.098651 161.3
[M+CH3COO]- 233.114301 183.1
[M+Na-2H]- 195.075116 141.3
[M]+ 174.09990142 137.7
[M]- 174.10099858 137.7
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