CID 45120620

2839139-21-6

Structural Information

Molecular Formula
C5H9N3O
SMILES
C1=C(NC(=N1)CN)CO
InChI
InChI=1S/C5H9N3O/c6-1-5-7-2-4(3-9)8-5/h2,9H,1,3,6H2,(H,7,8)
InChIKey
XNLSFFYWKOVUTE-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)-1H-imidazol-5-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

127.07456 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.081836 124.6
[M+Na]+ 150.063778 132.8
[M-H]- 126.067284 122.7
[M+NH4]+ 145.108383 144.1
[M+K]+ 166.037718 130.2
[M+H-H2O]+ 110.071820 118.0
[M+HCOO]- 172.072761 146.2
[M+CH3COO]- 186.088411 166.9
[M+Na-2H]- 148.049226 130.1
[M]+ 127.07401142 121.0
[M]- 127.07510858 121.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe