CID 25220543

1217780-42-1

Structural Information

Molecular Formula
C11H14ClNO
SMILES
C1[C@H]([C@@H](CN1)C2=CC=C(C=C2)Cl)CO
InChI
InChI=1S/C11H14ClNO/c12-10-3-1-8(2-4-10)11-6-13-5-9(11)7-14/h1-4,9,11,13-14H,5-7H2/t9-,11-/m0/s1
InChIKey
CAPQIHOUMBRMTA-ONGXEEELSA-N
Compound name
[(3S,4R)-4-(4-chlorophenyl)pyrrolidin-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.07639 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08367 146.5
[M+Na]+ 234.06561 154.0
[M-H]- 210.06911 148.8
[M+NH4]+ 229.11021 165.2
[M+K]+ 250.03955 148.1
[M+H-H2O]+ 194.07365 140.5
[M+HCOO]- 256.07459 161.0
[M+CH3COO]- 270.09024 179.2
[M+Na-2H]- 232.05106 148.6
[M]+ 211.07584 143.3
[M]- 211.07694 143.3
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

patents stripe