CID 2574

Carcinine

Structural Information

Molecular Formula
C8H14N4O
SMILES
C1=C(NC=N1)CCNC(=O)CCN
InChI
InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)
InChIKey
ANRUJJLGVODXIK-UHFFFAOYSA-N
Compound name
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

58
References

984
Patents

182.11676 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.124036 140.1
[M+Na]+ 205.105978 145.6
[M-H]- 181.109484 139.0
[M+NH4]+ 200.150583 157.3
[M+K]+ 221.079918 143.2
[M+H-H2O]+ 165.114020 132.1
[M+HCOO]- 227.114961 162.5
[M+CH3COO]- 241.130611 181.7
[M+Na-2H]- 203.091426 144.6
[M]+ 182.11621142 136.9
[M]- 182.11730858 136.9
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