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]+ 128.08184 124.6
[M+Na]+ 150.06378 132.8
[M-H]- 126.06728 122.7
[M+NH4]+ 145.10838 144.1
[M+K]+ 166.03772 130.2
[M+H-H2O]+ 110.07182 118.0
[M+HCOO]- 172.07276 146.2
[M+CH3COO]- 186.08841 166.9
[M+Na-2H]- 148.04923 130.1
[M]+ 127.07401 121.0
[M]- 127.07511 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