CID 10703

O-cymene

Structural Information

Molecular Formula
C10H14
SMILES
CC1=CC=CC=C1C(C)C
InChI
InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3
InChIKey
WWRCMNKATXZARA-UHFFFAOYSA-N
Compound name
1-methyl-2-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

22
References

5474
Patents

134.10954 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 128.3
[M+Na]+ 157.09876 142.3
[M+NH4]+ 152.14336 138.5
[M+K]+ 173.07270 135.0
[M-H]- 133.10226 131.8
[M+Na-2H]- 155.08421 136.5
[M]+ 134.10899 131.5
[M]- 134.11009 131.5
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