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

622
Patents

129.11537 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.12265 129.5
[M+Na]+ 152.10459 135.8
[M-H]- 128.10809 130.1
[M+NH4]+ 147.14919 151.4
[M+K]+ 168.07853 135.2
[M+H-H2O]+ 112.11263 124.0
[M+HCOO]- 174.11357 148.9
[M+CH3COO]- 188.12922 170.1
[M+Na-2H]- 150.09004 131.9
[M]+ 129.11482 126.2
[M]- 129.11592 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