CID 136589178

2174007-57-7

Structural Information

Molecular Formula
C9H17NO
SMILES
C1C[C@H]2C[C@H](C[C@]2(C1)CO)N
InChI
InChI=1S/C9H17NO/c10-8-4-7-2-1-3-9(7,5-8)6-11/h7-8,11H,1-6,10H2/t7-,8+,9+/m0/s1
InChIKey
SDWVKJBNSKZNTM-DJLDLDEBSA-N
Compound name
[(2R,3aS,6aS)-2-amino-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

155.13101 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 135.7
[M+Na]+ 178.120228 141.8
[M-H]- 154.123734 138.0
[M+NH4]+ 173.164833 161.9
[M+K]+ 194.094168 139.2
[M+H-H2O]+ 138.128270 131.7
[M+HCOO]- 200.129211 156.3
[M+CH3COO]- 214.144861 174.6
[M+Na-2H]- 176.105676 138.7
[M]+ 155.13046142 130.0
[M]- 155.13155858 130.0
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

No patent data available for this compound.