CID 24258975

1390653-98-1

Structural Information

Molecular Formula
C11H15NO2
SMILES
CC1=CC(=CC=C1)C(C(=O)O)N(C)C
InChI
InChI=1S/C11H15NO2/c1-8-5-4-6-9(7-8)10(11(13)14)12(2)3/h4-7,10H,1-3H3,(H,13,14)
InChIKey
QBABJNHFWCOFLW-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-2-(3-methylphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

193.11028 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.117556 142.7
[M+Na]+ 216.099498 148.8
[M-H]- 192.103004 146.5
[M+NH4]+ 211.144103 161.9
[M+K]+ 232.073438 148.3
[M+H-H2O]+ 176.107540 136.6
[M+HCOO]- 238.108481 165.3
[M+CH3COO]- 252.124131 189.2
[M+Na-2H]- 214.084946 145.7
[M]+ 193.10973142 143.3
[M]- 193.11082858 143.3
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