CID 11309522

1-isopropyl-3-pyrrolidinol

Structural Information

Molecular Formula
C7H15NO
SMILES
CC(C)N1CCC(C1)O
InChI
InChI=1S/C7H15NO/c1-6(2)8-4-3-7(9)5-8/h6-7,9H,3-5H2,1-2H3
InChIKey
MYFPIRLHESHOGR-UHFFFAOYSA-N
Compound name
1-propan-2-ylpyrrolidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

619
Patents

129.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.122646 129.5
[M+Na]+ 152.104588 135.8
[M-H]- 128.108094 130.1
[M+NH4]+ 147.149193 151.4
[M+K]+ 168.078528 135.2
[M+H-H2O]+ 112.112630 124.0
[M+HCOO]- 174.113571 148.9
[M+CH3COO]- 188.129221 170.1
[M+Na-2H]- 150.090036 131.9
[M]+ 129.11482142 126.2
[M]- 129.11591858 126.2
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