CID 21702735

1-tert-butylpyrrolidin-3-ol

Structural Information

Molecular Formula
C8H17NO
SMILES
CC(C)(C)N1CCC(C1)O
InChI
InChI=1S/C8H17NO/c1-8(2,3)9-5-4-7(10)6-9/h7,10H,4-6H2,1-3H3
InChIKey
FOETXFLONXERFX-UHFFFAOYSA-N
Compound name
1-tert-butylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

316
Patents

143.13101 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.13829 133.9
[M+Na]+ 166.12023 140.6
[M-H]- 142.12373 134.6
[M+NH4]+ 161.16483 155.6
[M+K]+ 182.09417 139.7
[M+H-H2O]+ 126.12827 129.0
[M+HCOO]- 188.12921 152.4
[M+CH3COO]- 202.14486 171.9
[M+Na-2H]- 164.10568 137.8
[M]+ 143.13046 131.1
[M]- 143.13156 131.1
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