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]+ 144.13829 134.8
[M+Na]+ 166.12023 139.7
[M-H]- 142.12373 134.8
[M+NH4]+ 161.16483 155.8
[M+K]+ 182.09417 138.8
[M+H-H2O]+ 126.12827 128.7
[M+HCOO]- 188.12921 153.8
[M+CH3COO]- 202.14486 172.0
[M+Na-2H]- 164.10568 137.3
[M]+ 143.13046 131.5
[M]- 143.13156 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