CID 20055539

Sesquisabinene hydrate

Structural Information

Molecular Formula
C15H26O
SMILES
CC(CCC=C(C)C)C12CCC(C1C2)(C)O
InChI
InChI=1S/C15H26O/c1-11(2)6-5-7-12(3)15-9-8-14(4,16)13(15)10-15/h6,12-13,16H,5,7-10H2,1-4H3
InChIKey
IRDFGGRWKUKANK-UHFFFAOYSA-N
Compound name
2-methyl-5-(6-methylhept-5-en-2-yl)bicyclo[3.1.0]hexan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

31
Patents

222.19836 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 154.8
[M+Na]+ 245.18758 162.5
[M-H]- 221.19108 158.3
[M+NH4]+ 240.23218 174.4
[M+K]+ 261.16152 159.4
[M+H-H2O]+ 205.19562 151.8
[M+HCOO]- 267.19656 171.2
[M+CH3COO]- 281.21221 193.1
[M+Na-2H]- 243.17303 156.6
[M]+ 222.19781 157.3
[M]- 222.19891 157.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.