CID 447256

54164-07-7

Structural Information

Molecular Formula
C9H18N2O
SMILES
CC(C)[C@@H](C(=O)N1CCCC1)N
InChI
InChI=1S/C9H18N2O/c1-7(2)8(10)9(12)11-5-3-4-6-11/h7-8H,3-6,10H2,1-2H3/t8-/m0/s1
InChIKey
IHBAVXVTGLANPI-QMMMGPOBSA-N
Compound name
(2S)-2-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

2299
Patents

170.1419 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.14918 142.6
[M+Na]+ 193.13112 146.5
[M-H]- 169.13462 143.6
[M+NH4]+ 188.17572 162.5
[M+K]+ 209.10506 146.2
[M+H-H2O]+ 153.13916 136.0
[M+HCOO]- 215.14010 161.4
[M+CH3COO]- 229.15575 182.0
[M+Na-2H]- 191.11657 142.0
[M]+ 170.14135 137.7
[M]- 170.14245 137.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe