CID 7705

Butylbenzene

Structural Information

Molecular Formula
C10H14
SMILES
CCCCC1=CC=CC=C1
InChI
InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChIKey
OCKPCBLVNKHBMX-UHFFFAOYSA-N
Compound name
butylbenzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

96
References

91301
Patents

134.10954 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.11682 128.0
[M+Na]+ 157.09876 135.1
[M-H]- 133.10226 131.5
[M+NH4]+ 152.14336 150.1
[M+K]+ 173.07270 133.1
[M+H-H2O]+ 117.10680 122.6
[M+HCOO]- 179.10774 152.4
[M+CH3COO]- 193.12339 174.6
[M+Na-2H]- 155.08421 136.0
[M]+ 134.10899 128.4
[M]- 134.11009 128.4
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