CID 55296408

3-tert-butylpyrrolidin-3-ol hydrochloride

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)(C)C1(CCNC1)O
InChI
InChI=1S/C8H17NO/c1-7(2,3)8(10)4-5-9-6-8/h9-10H,4-6H2,1-3H3
InChIKey
NWJWKBSTUFVBQB-UHFFFAOYSA-N
Compound name
3-tert-butylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

143.13101 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.138286 134.4
[M+Na]+ 166.120228 140.7
[M-H]- 142.123734 133.7
[M+NH4]+ 161.164833 157.1
[M+K]+ 182.094168 139.0
[M+H-H2O]+ 126.128270 130.4
[M+HCOO]- 188.129211 151.5
[M+CH3COO]- 202.144861 167.7
[M+Na-2H]- 164.105676 139.8
[M]+ 143.13046142 129.7
[M]- 143.13155858 129.7
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