CID 130129265

(2s)-3-methyl-2-(pyrrolidin-1-yl)butan-1-ol

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)[C@@H](CO)N1CCCC1
InChI
InChI=1S/C9H19NO/c1-8(2)9(7-11)10-5-3-4-6-10/h8-9,11H,3-7H2,1-2H3/t9-/m1/s1
InChIKey
DAXQBFKMRFISCP-SECBINFHSA-N
Compound name
(2S)-3-methyl-2-pyrrolidin-1-ylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

157.14667 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.153946 139.8
[M+Na]+ 180.135888 144.0
[M-H]- 156.139394 139.7
[M+NH4]+ 175.180493 160.2
[M+K]+ 196.109828 143.3
[M+H-H2O]+ 140.143930 133.6
[M+HCOO]- 202.144871 157.5
[M+CH3COO]- 216.160521 175.9
[M+Na-2H]- 178.121336 140.5
[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

No patent data available for this compound.