CID 57152031

2-(tert-butoxy)propan-1-amine

Structural Information

Molecular Formula
C7H17NO
SMILES
CC(CN)OC(C)(C)C
InChI
InChI=1S/C7H17NO/c1-6(5-8)9-7(2,3)4/h6H,5,8H2,1-4H3
InChIKey
FUMQINKTMJGGNY-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxy]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

131.13101 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.138286 131.4
[M+Na]+ 154.120228 137.7
[M-H]- 130.123734 131.4
[M+NH4]+ 149.164833 153.3
[M+K]+ 170.094168 138.1
[M+H-H2O]+ 114.128270 127.2
[M+HCOO]- 176.129211 153.0
[M+CH3COO]- 190.144861 176.8
[M+Na-2H]- 152.105676 136.4
[M]+ 131.13046142 131.4
[M]- 131.13155858 131.4
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

patents stripe