CID 62329121

3-(2-methylpropoxy)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)COC1CCNC1
InChI
InChI=1S/C8H17NO/c1-7(2)6-10-8-3-4-9-5-8/h7-9H,3-6H2,1-2H3
InChIKey
BRUPCLNAJKBMLS-UHFFFAOYSA-N
Compound name
3-(2-methylpropoxy)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

143.13101 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.8
[M+Na]+ 166.120228 139.7
[M-H]- 142.123734 134.8
[M+NH4]+ 161.164833 155.8
[M+K]+ 182.094168 138.8
[M+H-H2O]+ 126.128270 128.7
[M+HCOO]- 188.129211 153.8
[M+CH3COO]- 202.144861 172.0
[M+Na-2H]- 164.105676 137.3
[M]+ 143.13046142 131.5
[M]- 143.13155858 131.5
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