CID 122759

N-carbamyltryptophan

Structural Information

Molecular Formula
C12H13N3O3
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC(=O)N
InChI
InChI=1S/C12H13N3O3/c13-12(18)15-10(11(16)17)5-7-6-14-9-4-2-1-3-8(7)9/h1-4,6,10,14H,5H2,(H,16,17)(H3,13,15,18)
InChIKey
NWLXJVDJMARXSP-UHFFFAOYSA-N
Compound name
2-(carbamoylamino)-3-(1H-indol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

43
Patents

247.09569 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10297 153.2
[M+Na]+ 270.08491 159.3
[M-H]- 246.08841 153.7
[M+NH4]+ 265.12951 169.3
[M+K]+ 286.05885 155.9
[M+H-H2O]+ 230.09295 146.3
[M+HCOO]- 292.09389 173.9
[M+CH3COO]- 306.10954 192.5
[M+Na-2H]- 268.07036 156.3
[M]+ 247.09514 150.8
[M]- 247.09624 150.8
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