CID 165271

L-histidinol

Structural Information

Molecular Formula
C6H11N3O
SMILES
C1=C(NC=N1)C[C@@H](CO)N
InChI
InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
InChIKey
ZQISRDCJNBUVMM-YFKPBYRVSA-N
Compound name
(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

5
References

16229
Patents

141.09021 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 142.097486 129.7
[M+Na]+ 164.079428 136.2
[M-H]- 140.082934 127.4
[M+NH4]+ 159.124033 148.2
[M+K]+ 180.053368 133.9
[M+H-H2O]+ 124.087470 122.7
[M+HCOO]- 186.088411 150.0
[M+CH3COO]- 200.104061 169.6
[M+Na-2H]- 162.064876 134.2
[M]+ 141.08966142 125.4
[M]- 141.09075858 125.4
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