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]+ 158.15395 139.4
[M+Na]+ 180.13589 143.8
[M-H]- 156.13939 139.2
[M+NH4]+ 175.18049 159.8
[M+K]+ 196.10983 142.7
[M+H-H2O]+ 140.14393 133.1
[M+HCOO]- 202.14487 158.1
[M+CH3COO]- 216.16052 175.0
[M+Na-2H]- 178.12134 141.3
[M]+ 157.14612 136.4
[M]- 157.14722 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.