CID 7015154

42070-90-6

Structural Information

Molecular Formula
C9H12O
SMILES
CC1=CC=CC=C1[C@@H](C)O
InChI
InChI=1S/C9H12O/c1-7-5-3-4-6-9(7)8(2)10/h3-6,8,10H,1-2H3/t8-/m1/s1
InChIKey
SDCBYRLJYGORNK-MRVPVSSYSA-N
Compound name
(1R)-1-(2-methylphenyl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

136.08882 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 127.2
[M+Na]+ 159.07804 134.9
[M-H]- 135.08154 129.9
[M+NH4]+ 154.12264 148.7
[M+K]+ 175.05198 133.2
[M+H-H2O]+ 119.08608 122.3
[M+HCOO]- 181.08702 149.6
[M+CH3COO]- 195.10267 172.7
[M+Na-2H]- 157.06349 133.1
[M]+ 136.08827 126.5
[M]- 136.08937 126.5
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