CID 79359808

2-methyl-4-(pyrrolidin-1-yl)butan-2-ol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)(CCN1CCCC1)O
InChI
InChI=1S/C9H19NO/c1-9(2,11)5-8-10-6-3-4-7-10/h11H,3-8H2,1-2H3
InChIKey
SOHAWBMOFPPYDC-UHFFFAOYSA-N
Compound name
2-methyl-4-pyrrolidin-1-ylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

157.14667 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 138.9
[M+Na]+ 180.135888 144.2
[M-H]- 156.139394 139.0
[M+NH4]+ 175.180493 159.6
[M+K]+ 196.109828 142.9
[M+H-H2O]+ 140.143930 133.4
[M+HCOO]- 202.144871 157.1
[M+CH3COO]- 216.160521 174.5
[M+Na-2H]- 178.121336 142.9
[M]+ 157.14612142 136.2
[M]- 157.14721858 136.2
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