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]+ 158.15395 139.8
[M+Na]+ 180.13589 144.0
[M-H]- 156.13939 139.7
[M+NH4]+ 175.18049 160.2
[M+K]+ 196.10983 143.3
[M+H-H2O]+ 140.14393 133.6
[M+HCOO]- 202.14487 157.5
[M+CH3COO]- 216.16052 175.9
[M+Na-2H]- 178.12134 140.5
[M]+ 157.14612 136.2
[M]- 157.14722 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.