CID 105429943

1781313-58-3

Structural Information

Molecular Formula
C9H15NO
SMILES
C1C2CC(C1C=C2)(CN)CO
InChI
InChI=1S/C9H15NO/c10-5-9(6-11)4-7-1-2-8(9)3-7/h1-2,7-8,11H,3-6,10H2
InChIKey
QKNZOOQJIIDAGM-UHFFFAOYSA-N
Compound name
[2-(aminomethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.11537 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.12265 133.9
[M+Na]+ 176.10459 141.5
[M-H]- 152.10809 135.3
[M+NH4]+ 171.14919 161.1
[M+K]+ 192.07853 138.6
[M+H-H2O]+ 136.11263 130.3
[M+HCOO]- 198.11357 155.8
[M+CH3COO]- 212.12922 175.4
[M+Na-2H]- 174.09004 138.9
[M]+ 153.11482 131.7
[M]- 153.11592 131.7
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.