CID 15339417

(2-amino-6-methylphenyl)methanol

Structural Information

Molecular Formula
C8H11NO
SMILES
CC1=C(C(=CC=C1)N)CO
InChI
InChI=1S/C8H11NO/c1-6-3-2-4-8(9)7(6)5-10/h2-4,10H,5,9H2,1H3
InChIKey
LOIHCAGCQVZRTR-UHFFFAOYSA-N
Compound name
(2-amino-6-methylphenyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

227
Patents

137.08406 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 127.0
[M+Na]+ 160.07328 135.5
[M-H]- 136.07678 129.5
[M+NH4]+ 155.11788 148.1
[M+K]+ 176.04722 133.0
[M+H-H2O]+ 120.08132 121.9
[M+HCOO]- 182.08226 151.0
[M+CH3COO]- 196.09791 174.1
[M+Na-2H]- 158.05873 133.1
[M]+ 137.08351 125.1
[M]- 137.08461 125.1
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