CID 3563411

2-(butan-2-yl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C8H17N
SMILES
CCC(C)C1CCCN1
InChI
InChI=1S/C8H17N/c1-3-7(2)8-5-4-6-9-8/h7-9H,3-6H2,1-2H3
InChIKey
KCHJATHVAOQQQV-UHFFFAOYSA-N
Compound name
2-butan-2-ylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

127.1361 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.143376 131.7
[M+Na]+ 150.125318 136.7
[M-H]- 126.128824 131.7
[M+NH4]+ 145.169923 153.4
[M+K]+ 166.099258 135.3
[M+H-H2O]+ 110.133360 125.8
[M+HCOO]- 172.134301 150.5
[M+CH3COO]- 186.149951 170.1
[M+Na-2H]- 148.110766 134.2
[M]+ 127.13555142 127.0
[M]- 127.13664858 127.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe