CID 952314

1359821-85-4

Structural Information

Molecular Formula
C9H17NO
SMILES
C1C[C@H](N(C1)CC2CC2)CO
InChI
InChI=1S/C9H17NO/c11-7-9-2-1-5-10(9)6-8-3-4-8/h8-9,11H,1-7H2/t9-/m0/s1
InChIKey
VVPQQGSILHUAQR-VIFPVBQESA-N
Compound name
[(2S)-1-(cyclopropylmethyl)pyrrolidin-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

155.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.13829 135.8
[M+Na]+ 178.12023 143.6
[M-H]- 154.12373 140.2
[M+NH4]+ 173.16483 151.7
[M+K]+ 194.09417 140.6
[M+H-H2O]+ 138.12827 129.2
[M+HCOO]- 200.12921 155.9
[M+CH3COO]- 214.14486 177.5
[M+Na-2H]- 176.10568 139.0
[M]+ 155.13046 135.2
[M]- 155.13156 135.2
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