CID 62906176

2-(oxan-4-yl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C9H17NO
SMILES
C1CC(NC1)C2CCOCC2
InChI
InChI=1S/C9H17NO/c1-2-9(10-5-1)8-3-6-11-7-4-8/h8-10H,1-7H2
InChIKey
NTAYTBQWOPZZIL-UHFFFAOYSA-N
Compound name
2-(oxan-4-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

155.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 156.138286 135.7
[M+Na]+ 178.120228 138.8
[M-H]- 154.123734 138.7
[M+NH4]+ 173.164833 154.3
[M+K]+ 194.094168 137.9
[M+H-H2O]+ 138.128270 128.9
[M+HCOO]- 200.129211 151.7
[M+CH3COO]- 214.144861 147.0
[M+Na-2H]- 176.105676 139.1
[M]+ 155.13046142 127.2
[M]- 155.13155858 127.2
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