CID 126971436

2260937-53-7

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC2CC1CC(C2)(CN)O
InChI
InChI=1S/C9H17NO/c10-6-9(11)4-7-1-2-8(3-7)5-9/h7-8,11H,1-6,10H2
InChIKey
DOGJWHRVVHQSHY-UHFFFAOYSA-N
Compound name
3-(aminomethyl)bicyclo[3.2.1]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

155.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 134.7
[M+Na]+ 178.120228 140.4
[M-H]- 154.123734 135.3
[M+NH4]+ 173.164833 159.9
[M+K]+ 194.094168 137.7
[M+H-H2O]+ 138.128270 130.7
[M+HCOO]- 200.129211 152.9
[M+CH3COO]- 214.144861 175.7
[M+Na-2H]- 176.105676 140.0
[M]+ 155.13046142 128.8
[M]- 155.13155858 128.8
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.