CID 7463

P-cymene

Structural Information

Molecular Formula
C10H14
SMILES
CC1=CC=C(C=C1)C(C)C
InChI
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKey
HFPZCAJZSCWRBC-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

846
References

66690
Patents

134.10954 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 127.4
[M+Na]+ 157.09876 135.2
[M-H]- 133.10226 131.4
[M+NH4]+ 152.14336 149.7
[M+K]+ 173.07270 133.7
[M+H-H2O]+ 117.10680 122.3
[M+HCOO]- 179.10774 150.7
[M+CH3COO]- 193.12339 176.5
[M+Na-2H]- 155.08421 133.4
[M]+ 134.10899 127.5
[M]- 134.11009 127.5
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