CID 111255

Ethanol, 2-((1,7,7-trimethylbicyclo(2.2.1)hept-2-yl)oxy)-, exo-

Structural Information

Molecular Formula
C12H22O2
SMILES
C[C@]12CC[C@H](C1(C)C)C[C@@H]2OCCO
InChI
InChI=1S/C12H22O2/c1-11(2)9-4-5-12(11,3)10(8-9)14-7-6-13/h9-10,13H,4-8H2,1-3H3/t9-,10-,12+/m0/s1
InChIKey
IWWCSDGEIDYEJV-JBLDHEPKSA-N
Compound name
2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethanol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

129
Patents

198.16199 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.16927 147.7
[M+Na]+ 221.15121 155.8
[M-H]- 197.15471 149.4
[M+NH4]+ 216.19581 175.9
[M+K]+ 237.12515 153.0
[M+H-H2O]+ 181.15925 145.2
[M+HCOO]- 243.16019 166.8
[M+CH3COO]- 257.17584 183.5
[M+Na-2H]- 219.13666 151.4
[M]+ 198.16144 149.0
[M]- 198.16254 149.0
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