CID 719760

[(2s)-1-benzylpyrrolidin-2-yl]methanol

Structural Information

Molecular Formula
C12H17NO
SMILES
C1C[C@H](N(C1)CC2=CC=CC=C2)CO
InChI
InChI=1S/C12H17NO/c14-10-12-7-4-8-13(12)9-11-5-2-1-3-6-11/h1-3,5-6,12,14H,4,7-10H2/t12-/m0/s1
InChIKey
ZAIQBJPTOXDDKA-LBPRGKRZSA-N
Compound name
[(2S)-1-benzylpyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

203
Patents

191.13101 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.138286 143.6
[M+Na]+ 214.120228 149.4
[M-H]- 190.123734 147.0
[M+NH4]+ 209.164833 162.7
[M+K]+ 230.094168 146.1
[M+H-H2O]+ 174.128270 136.4
[M+HCOO]- 236.129211 164.0
[M+CH3COO]- 250.144861 179.8
[M+Na-2H]- 212.105676 147.0
[M]+ 191.13046142 140.3
[M]- 191.13155858 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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