CID 14092

1-methyl-3-propylbenzene

Structural Information

Molecular Formula
C10H14
SMILES
CCCC1=CC=CC(=C1)C
InChI
InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
InChIKey
QUEBYVKXYIKVSO-UHFFFAOYSA-N
Compound name
1-methyl-3-propylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

2303
Patents

134.10954 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.116816 127.2
[M+Na]+ 157.098758 135.3
[M-H]- 133.102264 131.1
[M+NH4]+ 152.143363 149.6
[M+K]+ 173.072698 133.3
[M+H-H2O]+ 117.106800 122.1
[M+HCOO]- 179.107741 151.6
[M+CH3COO]- 193.123391 175.7
[M+Na-2H]- 155.084206 134.5
[M]+ 134.10899142 128.0
[M]- 134.11008858 128.0
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