CID 3051753

67814-70-4

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)[C@H]2CC[C@@](C2(C)C)(C)C(=O)O
InChI
InChI=1S/C18H25NO3/c1-11-7-6-8-12(2)14(11)19-15(20)13-9-10-18(5,16(21)22)17(13,3)4/h6-8,13H,9-10H2,1-5H3,(H,19,20)(H,21,22)/t13-,18+/m1/s1
InChIKey
OVRPTFSKRZVNOL-ACJLOTCBSA-N
Compound name
(1R,3S)-3-[(2,6-dimethylphenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.19072 171.5
[M+Na]+ 326.17266 180.5
[M+NH4]+ 321.21726 180.6
[M+K]+ 342.14660 173.9
[M-H]- 302.17616 173.5
[M+Na-2H]- 324.15811 177.8
[M]+ 303.18289 173.4
[M]- 303.18399 173.4
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

No patent data available for this compound.