CID 99647013

874949-52-7

Structural Information

Molecular Formula
C15H21NO
SMILES
C1C[C@H]2CN(C[C@]2(C1)CO)CC3=CC=CC=C3
InChI
InChI=1S/C15H21NO/c17-12-15-8-4-7-14(15)10-16(11-15)9-13-5-2-1-3-6-13/h1-3,5-6,14,17H,4,7-12H2/t14-,15+/m0/s1
InChIKey
HUMHLGKGPBRHRM-LSDHHAIUSA-N
Compound name
[(3aR,6aR)-2-benzyl-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-3a-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.16231 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 156.2
[M+Na]+ 254.15153 162.0
[M-H]- 230.15503 160.5
[M+NH4]+ 249.19613 178.3
[M+K]+ 270.12547 157.8
[M+H-H2O]+ 214.15957 149.4
[M+HCOO]- 276.16051 174.8
[M+CH3COO]- 290.17616 167.6
[M+Na-2H]- 252.13698 158.0
[M]+ 231.16176 152.4
[M]- 231.16286 152.4
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.