CID 115852

3a,7-methano-3ah-cyclopentacycloocten-3-ol, decahydro-1,1,7-trimethyl-

Structural Information

Molecular Formula
C15H26O
SMILES
CC1(CC(C23C1CCC(C2)(CCC3)C)O)C
InChI
InChI=1S/C15H26O/c1-13(2)9-12(16)15-7-4-6-14(3,10-15)8-5-11(13)15/h11-12,16H,4-10H2,1-3H3
InChIKey
NMXIRPDQDDCGRJ-UHFFFAOYSA-N
Compound name
4,4,8-trimethyltricyclo[6.3.1.01,5]dodecan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

222.19836 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 155.7
[M+Na]+ 245.18758 161.8
[M-H]- 221.19108 158.1
[M+NH4]+ 240.23218 183.4
[M+K]+ 261.16152 157.6
[M+H-H2O]+ 205.19562 151.1
[M+HCOO]- 267.19656 168.5
[M+CH3COO]- 281.21221 166.7
[M+Na-2H]- 243.17303 159.7
[M]+ 222.19781 150.5
[M]- 222.19891 150.5
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

patents stripe