CID 25445

1-menthene

Structural Information

Molecular Formula
C10H18
SMILES
CC1=C(CCCC1)C(C)C
InChI
InChI=1S/C10H18/c1-8(2)10-7-5-4-6-9(10)3/h8H,4-7H2,1-3H3
InChIKey
JXMFWIFYAPYINL-UHFFFAOYSA-N
Compound name
1-methyl-2-propan-2-ylcyclohexene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

100
Patents

138.14085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.148126 131.5
[M+Na]+ 161.130068 137.1
[M-H]- 137.133574 134.7
[M+NH4]+ 156.174673 153.5
[M+K]+ 177.104008 136.1
[M+H-H2O]+ 121.138110 126.4
[M+HCOO]- 183.139051 151.8
[M+CH3COO]- 197.154701 177.2
[M+Na-2H]- 159.115516 135.4
[M]+ 138.14030142 128.6
[M]- 138.14139858 128.6
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