CID 458589

5-(carbamoylamino)pentanoic acid

Structural Information

Molecular Formula
C6H12N2O3
SMILES
C(CCNC(=O)N)CC(=O)O
InChI
InChI=1S/C6H12N2O3/c7-6(11)8-4-2-1-3-5(9)10/h1-4H2,(H,9,10)(H3,7,8,11)
InChIKey
JKFZKHRPJOYSAM-UHFFFAOYSA-N
Compound name
5-(carbamoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

160.0848 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.09208 134.6
[M+Na]+ 183.07402 139.7
[M-H]- 159.07752 132.9
[M+NH4]+ 178.11862 153.5
[M+K]+ 199.04796 139.2
[M+H-H2O]+ 143.08206 129.0
[M+HCOO]- 205.08300 157.3
[M+CH3COO]- 219.09865 179.1
[M+Na-2H]- 181.05947 137.8
[M]+ 160.08425 132.7
[M]- 160.08535 132.7
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