CID 10812

M-cymene

Structural Information

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

2D Structure

compound 2d structure
8
Annotation Hits

7
References

5139
Patents

134.10954 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.116816 127.4
[M+Na]+ 157.098758 135.2
[M-H]- 133.102264 131.4
[M+NH4]+ 152.143363 149.7
[M+K]+ 173.072698 133.7
[M+H-H2O]+ 117.106800 122.3
[M+HCOO]- 179.107741 150.7
[M+CH3COO]- 193.123391 176.5
[M+Na-2H]- 155.084206 133.4
[M]+ 134.10899142 127.5
[M]- 134.11008858 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