CID 94340735

1-[(3r)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol

Structural Information

Molecular Formula
C8H18N2O
SMILES
CC(C)(CN1CC[C@H](C1)N)O
InChI
InChI=1S/C8H18N2O/c1-8(2,11)6-10-4-3-7(9)5-10/h7,11H,3-6,9H2,1-2H3/t7-/m1/s1
InChIKey
VDMURYIBJNVHLD-SSDOTTSWSA-N
Compound name
1-[(3R)-3-aminopyrrolidin-1-yl]-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

158.1419 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.149176 137.8
[M+Na]+ 181.131118 143.4
[M-H]- 157.134624 137.8
[M+NH4]+ 176.175723 158.0
[M+K]+ 197.105058 142.0
[M+H-H2O]+ 141.139160 132.2
[M+HCOO]- 203.140101 156.6
[M+CH3COO]- 217.155751 176.8
[M+Na-2H]- 179.116566 141.0
[M]+ 158.14135142 133.2
[M]- 158.14244858 133.2
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

patents stripe