CID 26191825

(3r)-3-(3-methylbutoxy)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C9H19NO
SMILES
CC(C)CCO[C@@H]1CCNC1
InChI
InChI=1S/C9H19NO/c1-8(2)4-6-11-9-3-5-10-7-9/h8-10H,3-7H2,1-2H3/t9-/m1/s1
InChIKey
RPPGMZVKEWPDGB-SECBINFHSA-N
Compound name
(3R)-3-(3-methylbutoxy)pyrrolidine
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 139.4
[M+Na]+ 180.135888 143.8
[M-H]- 156.139394 139.2
[M+NH4]+ 175.180493 159.8
[M+K]+ 196.109828 142.7
[M+H-H2O]+ 140.143930 133.1
[M+HCOO]- 202.144871 158.1
[M+CH3COO]- 216.160521 175.0
[M+Na-2H]- 178.121336 141.3
[M]+ 157.14612142 136.4
[M]- 157.14721858 136.4
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.